6,7-dimethoxy-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[(1H-1,2,4-triazol-5-ylthio)methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-2-[(1H-1,2,4-triazol-5-ylthio)methyl]-1H-quinazolin-4-one Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NC=NN3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NC=NN3)OC

InChI

InChI=1S/C13H13N5O3S/c1-20-9-3-7-8(4-10(9)21-2)16-11(17-12(7)19)5-22-13-14-6-15-18-13/h3-4,6H,5H2,1-2H3,(H,14,15,18)(H,16,17,19)